[cyclopentylidene-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-6-methoxy-indazol-3-yl]methyl] dihydrogen phosphate

Systemtic Name: [cyclopentylidene-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-6-methoxy-indazol-3-yl]methyl] dihydrogen phosphate Openeye Name: [cyclopentylidene-[1-(3,3-dimethyl-2-oxo-butyl)-6-methoxy-indazol-3-yl]methyl] dihydrogen phosphate CAS Name: [cyclopentylidene-[1-(3,3-dimethyl-2-oxobutyl)-6-methoxy-3-indazolyl]methyl] dihydrogen phosphate IUPAC Name: [cyclopentylidene-[1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazol-3-yl]methyl] dihydrogen phosphate Traditional Name: [cyclopentylidene-[1-(2-keto-3,3-dimethyl-butyl)-6-methoxy-indazol-3-yl]methyl] dihydrogen phosphate Formula: C20H27N2O6P MolecularWeight: 422.411941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=C(C=CC(=C2)OC)C(=N1)C(=C3CCCC3)OP(=O)(O)O

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=C(C=CC(=C2)OC)C(=N1)C(=C3CCCC3)OP(=O)(O)O

InChI

InChI=1S/C20H27N2O6P/c1-20(2,3)17(23)12-22-16-11-14(27-4)9-10-15(16)18(21-22)19(28-29(24,25)26)13-7-5-6-8-13/h9-11H,5-8,12H2,1-4H3,(H2,24,25,26)